EUbOPEN: Enabling and Unlocking biology in the OPEN

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

300 proteins purified in year 1

1,500 proteins purified at a rate of approximately 300 per year (reported at M12, M36, M60). Expression constructs and proteins will be produced by UOXF, GUF, KI, UNIVDUN, LUMC, with contributions from EFPIA and Associated Partners where applicable.

Applied to ≥2 new chemical series in year 3

First version of platform for automated compound synthesis applied to 2 new scaffoldsyear M36 M60

Additional ten PCAs established and/or optimised (20 in total)

Ten PCAs established and/or optimised (20 in total, 10 by month 24 and additional 10 by month 48).

Family wide screening platform for kinases using NanoBRET or ABPP technology

Family wide screening platform for kinases and one new family using NanoBRET or ABPP technology M24 M60

40 CRISPR knockout cell lines in year 1

40 CRISPR knockout cell lines per year (total 160) (M12, M36, M48).

First set of community engagement events or symposium held

Community engagement events and symposia held

Deposit intermediate set of data in sustainable resources
Evaluation of Raman assays and establishment of protocols in cell culture and patient-derived tissues

Evaluation of Raman assays and establishment of protocols in cell culture and patient-derived tissues.

Data for initial CG set released

Data for each Chemogenomic set release in EUbOPEN gateway Zenodo

50 targets enabled with in vitro assays and 30 targets with cellular assays

D5.1 250 targets enabled with assays for chemical probe discovery and optimisation at a rate of approximately 50 per year and 150 targets enabled with an in-cell target engagement assay at a rate of about 30 per year (M12, M36, M60).

EUbOPEN database gateway development

EUbOPEN database gateway specification and further development

Acquisition of > 500 compounds for CGL covering >250 targets

Acquisition of CG compounds (500 compounds/year) from commercial sources, academic partners and EFPIA.

EUbOPEN database gateway specification

EUbOPEN database gateway specification and further development.

Guiding principles for global network with similar organisations

Guiding principles for global network with similar organisations.

Five aggregated, anonymized and quality assured screening data sets released to the public

Five aggregated anonymized and quality assured screening data sets released to the public on annual basis through project website and other dissemination channels

20 recombinant antibodies or binders in year 2 and 3

50 recombinant antibodies or other binders at a rate of about 10 per year reported at M12 M36 M60 Binders will be generated by KI and ReSOLUTE with donations from Pharma partners

100 protein structures in year 1

100 protein structures in year 1.

Standardized chip design and processing established

Standardized chip design and processing established.

20 CP in year 1

20 EUbOPEN-generated CPs in year 1, including EFPIA contributions and jointly generated CPs as well as contributions from other scientists outside EUbOPEN.

First version of platform for automated compound synthesis

First version of platform for automated compound synthesis M24

Additional five aggregated, anonymized and quality assured screening data sets released to the public

Five aggregated anonymized and quality assured screening data sets released to the public on annual basis through project website and other dissemination channels

First EUbOPEN website review and development

EUbOPEN website development with regular reviews and updates

Update on web-based internal database system development

Webbased internal database system implementation and development

Intermediate release of curated CG compound profiling data

Release of curated CGL profiling data

First review of data ontology

Data ontology defined by working group and regularly reviewed

Acquisition of > 2,000 compounds for CGL covering >750 new targets

Acquisition of CG compounds (500 compounds/year) from commercial sources, academic partners and EFPIA.

Web-based internal database system initial implementation

Web-based internal database system implementation and development.

LiP-MS or BioID datasets of ≥10 probe-cell interactions

LiPMS datasets of 5 probecell interactionsyear M36 M60

Agreed quality control criteria approved by JMC

Agreed quality control criteria approved by JMC.

Ten PCAs established and/or optimised (20 in total)

Ten PCAs established andor optimised 20 in total 10 by month 24 and additional 10 by month 48

>1500 novel CG compounds sourced

At least 1500 CG compounds sourced or synthesised .

600 proteins purified in year 2 and 3

1500 proteins purified at a rate of approximately 300 per year reported at M12 M36 M60 Expression constructs and proteins will be produced by UOXF GUF KI UNIVDUN LUMC with contributions from EFPIA and Associated Partners where applicable

Data ontology defined by working group

Data ontology defined by working group.

A total of fifteen aggregated, anonymized and quality assured screening data sets released to the public

Five aggregated, anonymized and quality assured screening data sets released to the public on annual basis through project website and other dissemination channels.

40 CP in year 2 and 3

40 EUbOPENgenerated CPs in year 2 and 3 to a total of 60 CPs The CPs will include EFPIA contributions and jointly generated CPs as well as contributions from other scientists outside EUbOPEN

10 recombinant antibodies or binders in year 1

50 recombinant antibodies or other binders at a rate of about 10 per year (reported at M12, M36, M60). Binders will be generated by KI and ReSOLUTE with donations from Pharma partners.

Data deposition of genome/proteome wide analysis for >60 CG compounds

Genomeproteome wide analysis of subset of CG compounds 150 in total and deposition of data in sustainable resources M24 M60

100 targets enabled with in vitro assays and 60 targets with cellular assays in year 2 and 3

D51 250 targets enabled with assays for chemical probe discovery and optimisation at a rate of approximately 50 per year and 150 targets enabled with an incell target engagement assay at a rate of about 30 per year M12 M36 M60

Steady state sample access (1-2 per week) from IBD and CRC

Steady state sample access (1-2 per week) from IBD and CRC.

Establish data publication standard and database
200 protein structures in years 2 and 3

200 protein structures in year 2 and 3

Assembly of expanded reaction toolkit and fragment set for plate-based chemistry

Assembly of expanded reaction toolkit and fragment set for platebased chemistry

New protein family sentinel selectivity panel

New protein family sentinel selectivity panel for three families

Initial protocols made openly available through portal and public databases

Protocols made openly available through portal and public databases

Partnerships with >25 international partners

Partnerships with 25 international organisations with efforts in screening assay development patientderived cell assays chemical screening chemical probe generation and compound profiling established

80 CRISPR knockout cell lines in years 2 and 3

40 CRISPR knockout cell lines per year total 160 M12 M36 M48

Online compound ordering system for the public

Online compound ordering system for the public operational.

EUbOPEN website implementation

EUbOPEN website development with regular reviews and updates (M3, M36, M60).

Define criteria for compounds of CGL

The criteria underlying the list of targets to be covered by the CGL will be defined by the JMC and TPN (M3), and surveyed in regular meetings to govern the activities of Pillar 1.

Define target list of 1,000 targets

Defined target list of 1,000 proteins covered by the CGL.

Revised target list

The target list will be revised during the project.

Distribution of additionally approved CG sets and CP

Additionally approved CGs and CPs will be assembled and released with appropriate instructions to the public.

Extended FRAGALYSIS cloud infrastructure for in silico compound design

Extended FRAGALYSIS cloud infrastructure for in silico compound design Comprehensive compound prioritisation based on commercially available compounds

Extended FRAGALYSIS cloud infrastructure for de novo compound design

FRAGALYSIS de novo compound design interface compatible with platforms for automated compound synthesis.

Distribution of approved CG sets and CP

Newly approved CGs and CPs will be assembled and released with appropriate instructions to the public.

Publicaciones

Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family

Autores: Chaikuad A, Zhubi R, Tredup C, Knapp S.
Publicado en: IUCr, 2022, ISSN 2052-2525
Editor: IUCr Journals
DOI: 10.1107/s2052252522008582

Technologies for Direct Detection of Covalent Protein–Drug Adducts

Autores: Elma Mons, Robbert Q. Kim, Monique P. C. Mulder
Publicado en: Pharmaceuticals, 2023, ISSN 1424-8247
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ph16040547

DIP-MS: ultra-deep interaction proteomics for the deconvolution of protein complexes

Autores: Frommelt F, Fossati A, Uliana F, Wendt F, Xue P, Heusel M, Wollscheid B, Aebersold R, Ciuffa R, Gstaiger M.
Publicado en: Nat Methods, 2024, ISSN 1548-7091
Editor: Nature Publishing Group
DOI: 10.1038/s41592-024-02211-y

Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile-Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.

Autores: Zhou J, Horton JR, Menna M, Fiorentino F, Ren R, Yu D, Hajian T, Vedadi M, Mazzoccanti G, Ciogli A, Weinhold E, HÃ¼ben M, Blumenthal RM, Zhang X, Mai A, Rotili D, Cheng X
Publicado en: J Med Chem, 2022, ISSN 0022-2623
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01789

Building ubiquitination machineries: E3 ligase multi-subunit assembly and substrate targeting by PROTACs and molecular glues

Autores: Sarath Ramachandran, Alessio Ciulli
Publicado en: Current Opinion in Structural Biology, Edición 67, 2021, Página(s) 110-119, ISSN 0959-440X
Editor: Elsevier BV
DOI: 10.1016/j.sbi.2020.10.009

Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.

Autores: Rohm, S., Berger, B. T., Schroder, M., Chatterjee, D., Mathea, S., Joerger, A. C., Pinkas, D. M., Bufton, J. C., Tjaden, A., Kovooru, L., Kudolo, M., Pohl, C., Bullock, A. N., Muller, S., Laufer, S. and Knapp, S
Publicado en: J Med Chem., 2021, ISSN 0022-2623
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.1c00868

Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes

Autores: Hanke T, Mathea S, Woortman J, Salah E, Berger BT, Tumber A, Kashima R, Hata A, Kuster B, Müller S, Knapp S. J Med Chem 2022.
Publicado en: Journal of Medicinal Chemistry, 2022, ISSN 0022-2623
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01106

Mechanism and evolutionary origins of alanine-tail C-degron recognition by E3 ligases Pirh2 and CRL2-KLHDC10.

Autores: Patil PR, Burroughs AM, Misra M, Cerullo F, Costas-Insua C, Hung HC, Dikic I, Aravind L, Joazeiro CAP
Publicado en: Cell Rep, 2023, ISSN 2211-1247
Editor: Cell Press
DOI: 10.1016/j.celrep.2023.113100

Breaking free from the crystal lattice: Structural biology in solution to study protein degraders

Autores: Kevin Haubrich; Valentina A. Spiteri; William Farnaby; Frank Sobott; Alessio Ciulli
Publicado en: Crossref, Edición 2, 2023, ISSN 0346-251X
Editor: Pergamon Press Ltd.
DOI: 10.1016/j.sbi.2023.102534

Ubiquitin ligases: guardians of mammalian development

Autores: Cruz Walma, D. A., Chen, Z., Bullock, A. N. and Yamada, K. M
Publicado en: Nat Rev Mol Cell Biol, 2022, ISSN 1471-0072
Editor: Nature Publishing Group
DOI: 10.1038/s41580-021-00448-5

Hepatic miR-144 Drives Fumarase Activity Preventing NRF2 Activation During Obesity

Autores: Azzimato, V., Chen, P., Barreby, E., Morgantini, C., Levi, L., Vankova, A., ... & Aouadi, M.
Publicado en: Gastroenterology, 2021, ISSN 0016-5085
Editor: W. B. Saunders Co., Ltd.
DOI: 10.1053/j.gastro.2021.08.030

Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation.

Autores: Fraser BJ, Beldar S, Seitova A, Hutchinson A, Mannar D, Li Y, Kwon D, Tan R, Wilson RP, Leopold K, Subramaniam S, Halabelian L, Arrowsmith CH, BÃ©nard F
Publicado en: Nat Chem Biol, 2022, ISSN 1552-4450
Editor: Nature Publishing Group
DOI: 10.1038/s41589-022-01059-7

The ethnogeographic variability of genetic factors underlying G6PD deficiency

Autores: Koromina, M., Pandi, M. T., van der Spek, P. J., Patrinos, G. P., & Lauschke, V. M.
Publicado en: Pharmacological Research, 2021, ISSN 1043-6618
Editor: Academic Press
DOI: 10.1016/j.phrs.2021.105904

Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.

Autores: Michel M, Benítez-Buelga C, Calvo PA, Hanna BMF, Mortusewicz O, Masuyer G, Davies J, Wallner O, Sanjiv K, Albers JJ, Castañeda-Zegarra S, Jemth AS, Visnes T, Sastre-Perona A, Danda AN, Homan EJ, Marimuthu K, Zhenjun Z, Chi CN, Sarno A, Wiita E, von Nicolai C, Komor AJ, Rajagopal V, Müller S, Hank EC, Varga M, Scaletti ER, Pandey M, Karsten S, Haslene-Hox H, Loevenich S, Marttila P, Rasti A, Mam
Publicado en: Science, 2023, ISSN 0036-8075
Editor: American Association for the Advancement of Science
DOI: 10.1126/science.abf8980

Population-scale predictions of DPD and TPMT phenotypes using a quantitative pharmacogene-specific ensemble classifier

Autores: Yitian Zhou, Carolina Dagli Hernandez, Volker M. Lauschke
Publicado en: British Journal of Cancer, Edición 123/12, 2020, Página(s) 1782-1789, ISSN 0007-0920
Editor: Nature Publishing Group
DOI: 10.1038/s41416-020-01084-0

Harnessing CD3 diversity to optimize CAR T cells.

Autores: Velasco Cárdenas RM, Brandl SM, Meléndez AV, Schlaak AE, Buschky A, Peters T, Beier F, Serrels B, Taromi S, Raute K, Hauri S, Gstaiger M, Lassmann S, Huppa JB, Boerries M, Andrieux G, Bengsch B, Schamel WW, Minguet S.
Publicado en: Nat Immunol., 2024, ISSN 1529-2908
Editor: Nature Publishing Group
DOI: 10.1038/s41590-023-01658-z

Histone lysine methacrylation is a dynamic post-translational modification regulated by HAT1 and SIRT2

Autores: Delaney K, Tan M, Zhu Z, Gao J, Dai L, Kim S, Ding J, He M, Halabelian L, Yang L, Nagarajan P, Parthun MR, Lee S, Khochbin S, Zheng YG, Zhao Y
Publicado en: Cell Discov, 2022, ISSN 2056-5968
Editor: Nature Publishing Group
DOI: 10.1038/s41421-021-00344-4

PRMT inhibition induces a viral mimicry response in triple-negative breast cancer.

Autores: Wu Q, Nie DY, Ba-Alawi W, Ji Y, Zhang Z, Cruickshank J, Haight J, Ciamponi FE, Chen J, Duan S, Shen Y, Liu J, Marhon SA, Mehdipour P, Szewczyk MM, Dogan-Artun N, Chen W, Zhang LX, Deblois G, Prinos P, Massirer KB, Barsyte-Lovejoy D, Jin J, De Carvalho DD, Haibe-Kains B, Wang X, Cescon DW, Lupien M, Arrowsmith CH
Publicado en: Nature Chemical Biology, 2022, ISSN 1552-4450
Editor: Nature Publishing Group
DOI: 10.1038/s41589-022-01024-4

Proteomic workflows for deep phenotypic profiling of 3D organotypic liver models

Autores: Stefania Koutsilieri, Evgeniya Mickols, Ákos Végvári, Volker M Lauschke
Publicado en: Biotechnol J, 2023, ISSN 1860-6768
Editor: Wiley - VCH Verlag GmbH & CO. KGaA
DOI: 10.1002/biot.202300684

High-content live-cell multiplex screen for chemogenomic compound annotation based on nuclear morphology

Autores: Tjaden A, Giessmann RT, Knapp S, Schröder M, Müller S.
Publicado en: STAR Protoc., 2022, ISSN 2666-1667
Editor: Cell Press
DOI: 10.1016/j.xpro.2022.101791

No shortcuts to SARS-CoV-2 antivirals.

Autores: Edwards A, Hartung IV
Publicado en: Science, 2021, ISSN 0036-8075
Editor: American Association for the Advancement of Science
DOI: 10.1126/science.abj9488

Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family

Autores: Olivier E. Nonga, Darja Lavogina, Erki Enkvist, Katrin Kestav, Apirat Chaikuad, Sarah E. Dixon-Clarke, Alex N. Bullock, Sergei Kopanchuk, Taavi Ivan, Ramesh Ekambaram, Kaido Viht, Stefan Knapp, Asko Uri
Publicado en: Molecules, Edición 26/14, 2021, Página(s) 4353, ISSN 1420-3049
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules26144353

Mutation in Abl kinase with altered drug-binding kinetics indicates a novel mechanism of imatinib resistance

Autores: Lyczek A, Berger BT, Rangwala AM, Paung Y, Tom J, Philipose H, Guo J, Albanese SK, Robers MB, Knapp S, Chodera JD, Seeliger MA.
Publicado en: Proc Natl Acad Sci U S A, 2021, ISSN 0027-8424
Editor: National Academy of Sciences
DOI: 10.1073/pnas.2111451118

RNF8 ubiquitylation of XRN2 facilitates R-loop resolution and restrains genomic instability in BRCA1 mutant cells

Autores: Rehna Krishnan, Mariah Lapierre, Brandon Gautreau, Kevin C J Nixon, Samah El Ghamrasni, Parasvi S Patel, Jun Hao, V Talya Yerlici, Kiran Kumar Naidu Guturi, Jonathan St-Germain, Francesca Mateo, Amine Saad, Arash Algouneh, Rebecca Earnshaw, Duan Shili, Alma Seitova, Joshua Miller, Negin Khosraviani, Adam Penn, Brandon Ho, Otto Sanchez, M Prakash Hande, Jean-Yves Masson, Grant W Brown, Moulay Alaou
Publicado en: Nucleic Acids Res, 2023, ISSN 0305-1048
Editor: Oxford University Press
DOI: 10.1093/nar/gkad733

The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification

Autores: Carrow I. Wells, Hassan Al-Ali, David M. Andrews, Christopher R. M. Asquith, Alison D. Axtman, Ivan Dikic, Daniel Ebner, Peter Ettmayer, Christian Fischer, Mathias Frederiksen, Robert E. Futrell, Nathanael S. Gray, Stephanie B. Hatch, Stefan Knapp, Ulrich Lücking, Michael Michaelides, Caitlin E. Mills, Susanne Müller, Dafydd Owen, Alfredo Picado, Kumar S. Saikatendu, Martin Schröder, Alexandra
Publicado en: International Journal of Molecular Sciences, Edición 22/2, 2021, Página(s) 566, ISSN 1422-0067
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22020566

Post-transcriptional and Post-translational Modifications of Primary Cilia: How to Fine Tune Your Neuronal Antenna.

Autores: Rocha C, Prinos P
Publicado en: Front Cell Neurosci, 2022, ISSN 1662-5102
Editor: Frontiers Research Foundation
DOI: 10.3389/fncel.2022.809917

DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity

Autores: Martin Schröder, Alex N. Bullock, Oleg Fedorov, Franz Bracher, Apirat Chaikuad, Stefan Knapp
Publicado en: Journal of Medicinal Chemistry, Edición 63/18, 2020, Página(s) 10224-10234, ISSN 0022-2623
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.0c00898

Genotoxicity and Epigenotoxicity of Carbazole-Derived Molecules on MCF-7 Breast Cancer Cells

Autores: Claudio Luparello, Ilenia Cruciata, Andreas C. Joerger, Cory A. Ocasio, Rhiannon Jones, Raysa Khan Tareque, Mark C. Bagley, John Spencer, Martin Walker, Carol Austin, Tiziana Ferrara, Pietro D′Oca, Rossella Bellina, Rossella Branni, Fabio Caradonna
Publicado en: International Journal of Molecular Sciences, Edición 22/7, 2021, Página(s) 3410, ISSN 1422-0067
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22073410

Autoantibodies against Four-and-a-Half-LIM Domain 1 (FHL1) in Inflammatory Myopathies: Results from an Australian Single-Center Cohort.

Autores: Galindo-Feria AS, Horuluoglu B, Day J, Fernandes-Cerqueira C, Wigren E, Gräslund S, Proudman S, Lundberg IE, Limaye V
Publicado en: Rheumatology, 2022, ISSN 1462-0324
Editor: Oxford University Press
DOI: 10.1093/rheumatology/keac003

Structural insights into a regulatory mechanism of FIR RRM1-FUSE interaction

Autores: Ni X, Joerger AC, Chaikuad A, Knapp S.
Publicado en: Open Biol., 2023, ISSN 2046-2441
Editor: Royal Society Publishing
DOI: 10.1098/rsob.230031

SS148 and WZ16 inhibit the activities of nsp10-nsp16 complexes from all seven human pathogenic coronaviruses.

Autores: Li F, Ghiabi P, Hajian T, Klima M, Li ASM, Yazdi AK, Chau I, Loppnau P, Kutera M, Seitova A, Bolotokova A, Hutchinson A, Perveen S, Boura E, Vedadi M
Publicado en: Biochim Biophys Acta, 2023, ISSN 0304-4165
Editor: Elsevier BV
DOI: 10.1016/j.bbagen.2023.130319

Adjudin improves beta cell maturation, hepatic glucose uptake and glucose homeostasis

Autores: Lipeng Ren, Jérémie Charbord, Lianhe Chu, Aurino M Kemas, Maria Bertuzzi, Jiarui Mi, Chen Xing, Volker M Lauschke, Olov Andersson
Publicado en: Diabetologia, 2023, ISSN 0012-186X
Editor: Springer Verlag
DOI: 10.1007/s00125-023-06020-4

Prediction and Validation of a Protein's Free Energy Surface Using Hydrogen Exchange and (Importantly) Its Denaturant Dependence.

Autores: Peng X, Baxa M, Faruk N, Sachleben JR, Pintscher S, Gagnon IA, Houliston S, Arrowsmith CH, Freed KF, Rocklin GJ, Sosnick TR
Publicado en: J Chem Theory Comput, 2021, ISSN 1549-9618
Editor: American Chemical Society
DOI: 10.1021/acs.jctc.1c00960

Discovery and Characterization of BAY-805, a Potent and Selective Inhibitor of Ubiquitin-Specific Protease USP21

Autores: Fabian Göricke; Victoria Vu; Leanna Smith; Ulrike Scheib; Raphael Böhm; Namik Akkilic; Gerd Wohlfahrt; Jörg Weiske; Ulf Bömer; Krzysztof Brzezinka; Niels Lindner; Philip Lienau; Stefan Gradl; Hartmut Beck; Peter J. Brown; Vijayaratnam Santhakumar; Masoud Vedadi; Dalia Barsyte-Lovejoy; Cheryl H. Arrowsmith; Norbert Schmees; Kirstin Petersen
Publicado en: Crossref, Edición 3, 2023, ISSN 0022-2623
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01933

Editorial: The next generation of tools and technologies for studying human neurons in a dish

Autores: Thomas M. Durcan and Alison D. Axtman
Publicado en: Front Cell Neurosci, 2023, ISSN 1662-5102
Editor: Frontiers Research Foundation
DOI: 10.3389/fncel.2023.1196543

7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a “Cut and Glue” Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors

Autores: Mehmet Karatas, Apirat Chaikuad, Bianca Berger, Michael H. G. Kubbutat, Frank Totzke, Stefan Knapp, Conrad Kunick
Publicado en: Molecules, Edición 26/6, 2021, Página(s) 1611, ISSN 1420-3049
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules26061611

Pharmacogenomics in the era of next generation sequencing – from byte to bedside

Autores: Laura E. Russell, Yitian Zhou, Ahmed A. Almousa, Jasleen K. Sodhi, Chukwunonso K. Nwabufo, Volker M. Lauschke
Publicado en: Drug Metabolism Reviews, 2021, Página(s) 1-26, ISSN 0360-2532
Editor: Marcel Dekker Inc.
DOI: 10.1080/03602532.2021.1909613

Structure and Function of Protein Arginine Methyltransferase PRMT7.

Autores: Halabelian L, Barsyte-Lovejoy D
Publicado en: Life (Basel), 2021, ISSN 2075-1729
Editor: MDPI
DOI: 10.3390/life11080768

Scaffold hopping from amodiaquine to novel Nurr1 agonist chemotypes via microscale analogue libraries.

Autores: Willems, S.; Müller, M.; Ohrndorf, J.; Heering, J.; Proschak, E.; Merk, D.
Publicado en: ChemMedChem, 2022, ISSN 1860-7179
Editor: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/cmdc.202200026

Conformation and dynamics of the kinase domain drive subcellular location and activation of LRRK2

Autores: Sven H. Schmidt, Jui-Hung Weng, Phillip C. Aoto, Daniela Boassa, Sebastian Mathea, Steve Silletti, Junru Hu, Maximilian Wallbott, Elizabeth A. Komives, Stefan Knapp, Friedrich W. Herberg, Susan S. Taylor
Publicado en: Proceedings of the National Academy of Sciences, Edición 118/23, 2021, Página(s) e2100844118, ISSN 0027-8424
Editor: National Academy of Sciences
DOI: 10.1073/pnas.2100844118

Integrated analysis of Shank1 PDZ interactions with C-terminal and internal binding motifs

Autores: Muhammad Ali, Mishal Mariam McAuley, Susanne Lüchow, Stefan Knapp, Andreas C. Joerger, Ylva Ivarsson
Publicado en: Current Research in Structural Biology, Edición 3, 2021, Página(s) 41-50, ISSN 2665-928X
Editor: Elsevier
DOI: 10.1016/j.crstbi.2021.01.001

Disease-associated KBTBD4 mutations in medulloblastoma elicit neomorphic ubiquitylation activity to promote CoREST degradation

Autores: Chen, Z., Ioris, R. M., Richardson, S., Van Ess, A. N., Vendrell, I., Kessler, B.M., Buffa, F.M., Busino, L., Clifford, S. C., Bullock, A. N. D'Angiolella, V.
Publicado en: Cell Death Differ., 2022, ISSN 1350-9047
Editor: Nature Publishing Group
DOI: 10.1038/s41418-022-00983-4

Huntingtin structure is orchestrated by HAP40 and shows a polyglutamine expansion-specific interaction with exon 1.

Autores: Harding RJ, Deme JC, Hevler JF, Tamara S, Lemak A, Cantle JP, Szewczyk MM, Begeja N, Goss S, Zuo X, Loppnau P, Seitova A, Hutchinson A, Fan L, Truant R, Schapira M, Carroll JB, Heck AJR, Lea SM, Arrowsmith CH
Publicado en: Commun Biol, 2021, ISSN 2399-3642
Editor: Springer Nature
DOI: 10.1038/s42003-021-02895-4

Discovery of Nanomolar DCAF1 Small Molecule Ligands.

Autores: Li ASM, Kimani S, Wilson B, Noureldin M, GonzÃ¡lez-Ãlvarez H, Mamai A, Hoffer L, Guilinger JP, Zhang Y, von Rechenberg M, Disch JS, Mulhern CJ, Slakman BL, Cuozzo JW, Dong A, Poda G, Mohammed M, Saraon P, Mittal M, Modh P, Rathod V, Patel B, Ackloo S, Santhakumar V, Szewczyk MM, Barsyte-Lovejoy D, Arrowsmith CH, Marcellus R, GuiÃ© MA, Keefe AD, Brown PJ, Halabelian L, Al-Awar R, Vedadi M
Publicado en: Journal of Medicinal Chemistry, 2023, ISSN 0022-2623
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c02132

Mutation in the Common Docking Domain Affects MAP Kinase ERK2 Catalysis and Stability

Autores: Novak L, Petrosino M, Pasquo A, Chaikuad A, Chiaraluce R, Knapp S, Consalvi V
Publicado en: Cancers (Basel), 2023, ISSN 2072-6694
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/cancers15112938

Toxicogenomics of drug induced liver injury – from mechanistic understanding to early prediction.

Autores: Volker M. Lauschke
Publicado en: Drug Metabolism Reviews, 2021, Página(s) 1-8, ISSN 0360-2532
Editor: Marcel Dekker Inc.
DOI: 10.1080/03602532.2021.1894571

De novo design of immunoglobulin-like domains.

Autores: Chidyausiku TM, Mendes SR, Klima JC, Nadal M, Eckhard U, Roel-Touris J, Houliston S, Guevara T, Haddox HK, Moyer A, Arrowsmith CH, Gomis-RÃ¼th FX, Baker D, Marcos E
Publicado en: Nat Commun, 2022, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-022-33004-6

Covalent Proximity Scanning of a Distal Cysteine to Target PI3Kα

Autores: Chiara Borsari, Erhan Keles, Jacob A. McPhail, Alexander Schaefer, Rohitha Sriramaratnam, Wojciech Goch, Thorsten Schaefer, Martina De Pascale, Wojciech Bal, Matthias Gstaiger, John E. Burke, and Matthias P. Wymann
Publicado en: Journal of the American Chemical Society, 2022, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.1c13568

ProxyBind: A compendium of binding sites for proximity-induced pharmacology.

Autores: Rovers E, Liu L, Schapira M
Publicado en: Computational and Structural Biotechnology Journal, 2022, ISSN 2001-0370
Editor: Elsevier
DOI: 10.1016/j.csbj.2022.11.010

Nurr1 Modulation Mediates Neuroprotective Effects of Statins

Autores: Sabine Willems, Julian A. Marschner, Whitney Kilu, Giuseppe Faudone, Romy Busch, Silke Duensing-Kropp, Jan Heering, Daniel Merk
Publicado en: Adv. Sci, 2022, ISSN 2198-3844
Editor: Willey-VCH
DOI: 10.1002/advs.202104640

E3 Ligase Ligands for PROTACs: How They Were Found and How to Discover New Ones

Autores: Tasuku Ishida, Alessio Ciulli
Publicado en: SLAS DISCOVERY: Advancing the Science of Drug Discovery, Edición 26/4, 2021, Página(s) 484-502, ISSN 2472-5552
Editor: SAGE Journals
DOI: 10.1177/2472555220965528

Role of FAM134 paralogues in endoplasmic reticulum remodeling, ER‐phagy, and Collagen quality control

Autores: Alessio Reggio, Viviana Buonomo, Rayene Berkane, Ramachandra M Bhaskara, Mariana Tellechea, Ivana Peluso, Elena Polishchuk, Giorgia Di Lorenzo, Carmine Cirillo, Marianna Esposito, Adeela Hussain, Antje K Huebner, Christian A Hübner, Carmine Settembre, Gerhard Hummer, Paolo Grumati, Alexandra Stolz
Publicado en: EMBO reports, 2021, ISSN 1469-221X
Editor: Nature Publishing Group
DOI: 10.15252/embr.202052289

Structural variation of the coding and non-coding human pharmacogenome

Autores: Roman Tremmel, Yitian Zhou, Matthias Schwab & Volker M. Lauschke
Publicado en: npj Genomic Medicine, 2023, ISSN 2056-7944
Editor: Springer Nature
DOI: 10.1038/s41525-023-00371-y

Target 2035 - update on the quest for a probe for every protein.

Autores: Muller, S., Ackloo, S., Al Chawaf, A., Al-Lazikani, B., Antolin, A., Baell, J. B., Beck, H., Beedie, S., Betz, U. A. K., Bezerra, G. A., Brennan, P. E., Brown, D., Brown, P. J., Bullock, A. N., Carter, A. J., Chaikuad, A., Chaineau, M., Ciulli, A., Collins, I., Dreher, J., Drewry, D., Edfeldt, K., Edwards, A. M., Egner, U., Frye, S. V., Fuchs, S. M., Hall, M. D., Hartung, I. V., Hillisch, A., Hitc
Publicado en: RSC Medicinal Chemistry, 2022, ISSN 2046-2069
Editor: Royal Society of Chemistry
DOI: 10.1039/d1md00228g

Pathway selectivity in Frizzleds is achieved by conserved micro-switches defining pathway-determining, active conformations

Autores: Lukas Grätz, Maria Kowalski-Jahn, Magdalena M. Scharf, Pawel Kozielewicz, Michael Jahn, Julien Bous, Nevin A. Lambert, David E. Gloriam & Gunnar Schulte
Publicado en: Nature Communications, 2023, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-023-40213-0

A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.

Autores: Liu Y, Iqbal A, Li W, Ni Z, Wang Y, Ramprasad J, Abraham KJ, Zhang M, Zhao DY, Qin S, Loppnau P, Jiang H, Guo X, Brown PJ, Zhen X, Xu G, Mekhail K, Ji X, Bedford MT, Greenblatt JF, Min J
Publicado en: Nat Commun, 2022, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-022-33229-5

Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity

Autores: Kesatebrhan Haile Asressu,Jeffery L. Smith, Rebekah J. Dickmander, Nathaniel J. Moorman, James Wellnitz, Konstantin I. Popov, Alison D. Axtman,nand Timothy M. Willson
Publicado en: Pharmaceuticals (Basel), 2024, ISSN 1424-8247
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ph17030306

ChemRAP uncovers specific mRNA translation regulation via RNA 5' phospho-methylation

Autores: Ipas H, Gouws EB, Abell NS, Chiou PC, Devanathan SK, Hervé S, Lee S, Mercado M, Reinsborough C, Halabelian L, Arrowsmith CH, Xhemalçe B
Publicado en: EMBO Rep., 2024, ISSN 1469-221X
Editor: Nature Publishing Group
DOI: 10.1038/s44319-024-00059-z

Enzymatic nucleosome acetylation selectively affects activity of histone methyltransferases in vitro

Autores: Trush, Viacheslav V.; Feller, Christian; Li, Alice Shi Ming; Allali-Hassani, Abdellah; Szewczyk, Magdalena M.; Chau, Irene; Eram, Mohammad S.; Jiang, Boya; Luu, Raymond; Zhang, Fangfei; Barsyte-Lovejoy, Dalia; Aebersold, Ruedi; Arrowsmith, Cheryl H.; Vedadi, Masoud
Publicado en: Biochimica et Biophysica Acta - Gene Regulatory Mechanisms, 1865 (5), Edición 1, 2022, ISSN 1874-9399
Editor: Elsevier BV
DOI: 10.1016/j.bbagrm.2022.194845

ChemBioPort: an online portal to navigate the structure, function and chemical inhibition of the human proteome

Autores: Lihua Liu, Evianne Rovers, Matthieu Schapira
Publicado en: Database, 2022, ISSN 1758-0463
Editor: Oxford University Press
DOI: 10.1093/database/baac088

A Consensus Compound/Bioactivity Dataset for Data-Driven Drug Design and Chemogenomics

Autores: Isigkeit, L.; Chaikuad, A.; Merk, D
Publicado en: Molecules, 2022, ISSN 1420-3049
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27082513

The Past, Present and Future of Intestinal In Vitro Cell Systems for Drug Absorption Studies

Autores: Sonia Youhanna, Volker M. Lauschke
Publicado en: Journal of Pharmaceutical Sciences, Edición 110/1, 2021, Página(s) 50-65, ISSN 0022-3549
Editor: John Wiley & Sons Inc.
DOI: 10.1016/j.xphs.2020.07.001

Longitudinal assessment of reactivity and affinity profile of anti-Jo1 autoantibodies to distinct HisRS domains and a splice variant in a cohort of patients with myositis and anti-synthetase syndrome

Autores: Notarnicola A, Preger C, Lundström SL, Renard N, Wigren E, Van Gompel E, Galindo-Feria AS, Persson H, Fathi M, Grunewald J, Jakobsson PJ, Gräslund S, Lundberg IE, Fernandes-Cerqueira C
Publicado en: Arthritis research and therapy, 2022, ISSN 1478-6362
Editor: Springer Nature
DOI: 10.1186/s13075-022-02745-6

Target 2035 – an update on private sector contributions

Autores: Suzanne Ackloo, * a Albert A. Antolin, b Jose Manuel Bartolome, c Hartmut Beck, d Alex Bullock, e Ulrich A. K. Betz, f Jark Böttcher, g Peter J. Brown, h Menorca Chaturvedi, i Alisa Crisp,j Danette Daniels, k Jan Dreher, d Kristina Edfeldt, l Aled M. Edwards, a Ursula Egner, m Jon Elkins, e Christian Fischer, n Tine Glendorf, o Steven Goldberg, p Ingo V. Hartung, q Alexander Hillisch, d Evert Hom
Publicado en: RSC Medicinal Chemistry, 2022, ISSN 2040-2503
Editor: Royal Society of Chemistry
DOI: 10.1039/d2md00441k

Recent developments in in vitro and in vivo models for improved translation of preclinical pharmacokinetics and pharmacodynamics data

Autores: Jaydeep Yadav, Mehdi El Hassani, Jasleen Sodhi, Volker M. Lauschke, Jessica H. Hartman & Laura E. Russell
Publicado en: Drug Metabolism Reviews, 2021, ISSN 0360-2532
Editor: Marcel Dekker Inc.
DOI: 10.1080/03602532.2021.1922435

Atg8 family proteins, LIR/AIM motifs and other interaction modes

Autores: Rogov VV, Nezis IP, Tsapras P, Zhang H, Dagdas Y, Noda NN, Nakatogawa H, Wirth M, Mouilleron S, McEwan DG, Behrends C, Deretic V, Elazar Z, Tooze SA, Dikic I, Lamark T, Johansen T.
Publicado en: Autophagy Rep, 2023, ISSN 1554-8627
Editor: Landes Bioscience
DOI: 10.1080/27694127.2023.2188523

Assessing reversible and irreversible binding effects of kinase covalent inhibitors through ADP-Glo assays.

Autores: 37. Schröder M, Chaikuad A.
Publicado en: Star Protocols, 2021, ISSN 2666-1667
Editor: Elsevier
DOI: 10.1016/j.xpro.2021.100717

The human pseudouridine synthase PUS7 recognizes RNA with an extended multi-domain binding surface.

Autores: Guegueniat J, Halabelian L, Zeng H, Dong A, Li Y, Wu H, Arrowsmith CH, Kothe U
Publicado en: Nucleic Acids Res, 2021, ISSN 0305-1048
Editor: Oxford University Press
DOI: 10.1093/nar/gkab934

Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.

Autores: Bashore FM, Marquez AB, Chaikuad A, Howell S, Dunn AS, Beltran AA, Smith JL, Drewry DH, Beltran AS, Axtman AD.
Publicado en: Sci Rep, 2023, ISSN 2045-2322
Editor: Nature Publishing Group
DOI: 10.1038/s41598-023-32854-4

Human resident liver myeloid cells protect against metabolic stress in obesity

Autores: Emelie Barreby, Benedikt Strunz, Sebastian Nock, Léa Naudet, Joanne X. Shen, Helene Johansson, Isabella Sönnerborg, Junjie Ma, Egon Urgard, Laura J. Pallett, Yizhou Hu, Achilleas Fardellas, Valerio Azzimato, Ana Vankova, Laura Levi, Cecilia Morgantini, Mala K. Maini, Per Stål, Stephan P. Rosshart, Jonathan M. Coquet, Greg Nowak, Erik Näslund, Volker M. Lauschke, Ewa Ellis, Niklas K. Björkstr
Publicado en: Nature Metabolism, 2023, ISSN 2522-5812
Editor: Nature
DOI: 10.1038/s42255-023-00834-7

Optimization of 3-Cyano-7-cyclopropylamino-pyrazolo[1,5- a]pyrimidines toward the Development of an In Vivo Chemical Probe for CSNK2A

Autores: Xuan Yang , Han Wee Ong , Rebekah J Dickmander, Jeffery L Smith, Jason W Brown, William Tao, Edcon Chang, Nathaniel J Moorman , Alison D Axtman, Timothy M Willson
Publicado en: ACS Omega, 2023, ISSN 2470-1343
Editor: American Chemical Society
DOI: 10.1021/acsomega.3c05377

Assembly and Application of a Low Budget Photoreactor**

Autores: Olov Wallner, Kirill Mamonov, Florian Ortis, Dana Michel, Maurice Michel
Publicado en: Chemistry–Methods, Edición 1/5, 2021, Página(s) 240-244, ISSN 2628-9725
Editor: Wiley-VCH GmbH
DOI: 10.1002/cmtd.202100022

A Screening of Epigenetic Therapeutic Targets for Non-Small Cell Lung Cancer Reveals PADI4 and KDM6B as Promising Candidates

Autores: Lesbon JCC, Garnica TK, Xavier PLP, Rochetti AL, Reis RM, Müller S, Fukumasu H.
Publicado en: International Journal of Molecular Sciences, 2022, ISSN 1422-0067
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms231911911

Calcium/calmodulin-dependent protein kinase kinase 2 regulates hepatic fuel metabolism

Autores: Stork BA, Dean A, Ortiz AR, Saha P, Putluri N, Planas-Silva MD, Mahmud I, Rajapakshe K, Coarfa C, Knapp S, Lorenzi PL, Kemp BE, Turk BE, Scott JW, Means AR, York B.
Publicado en: Mol Metab, 2022, ISSN 2212-8778
Editor: Elsevier GmbH
DOI: 10.1016/j.molmet.2022.101513

Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput

Autores: Yuqing Jia, Robbert Q. Kim, Raymond Kooij, Huib Ovaa, Aysegul Sapmaz*, and Paul P. Geurink*
Publicado en: J Med Chem, 2022, ISSN 0022-2623
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01113

Insulin‐dependent glucose consumption dynamics in 3D primary human liver cultures measured by a sensitive and specific glucose sensor with nanoliter input volume

Autores: Aurino M. Kemas, Sonia Youhanna, Reza Zandi Shafagh, Volker M. Lauschke
Publicado en: The FASEB Journal, Edición 35/3, 2021, ISSN 0892-6638
Editor: Federation of American Societies for Experimental Biology
DOI: 10.1096/fj.202001989rr

Selective BH3 mimetics synergize with BET inhibition to induce mitochondrial apoptosis in rhabdomyosarcoma cells

Autores: Erdogdu U, Dolgikh N, Laszig S, Särchen V, Meister MT, Wanior M, Knapp S, Boedicker C
Publicado en: Neoplasia, 2022, ISSN 1522-8002
Editor: Elsevier BV
DOI: 10.1016/j.neo.2021.11.012

Detection of antibodies against the huntingtin protein in human plasma.

Autores: Denis HL, Alpaugh M, Alvarez CP, Fenyi A, Barker RA, Chouinard S, Arrowsmith CH, Melki R, Labib R, Harding RJ, Cicchetti F
Publicado en: Cell Mol Life Sci, 2023, ISSN 1420-682X
Editor: Birkhauser Verlag
DOI: 10.1007/s00018-023-04687-x

Scaling of an antibody validation procedure enables quantification of antibody performance in major research applications

Autores: Ayoubi R, Ryan J, Biddle MS, Alshafie W, Fotouhi M, Bolivar SG, Ruiz Moleon V, Eckmann P, Worrall D, McDowell I, Southern K, Reintsch W, Durcan TM, Brown C, Bandrowski A, Virk H, Edwards AM, McPherson P, Laflamme C.
Publicado en: Elife, 2023, ISSN 2050-084X
Editor: eLife Sciences Publications
DOI: 10.7554/elife.91645

Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6

Autores: Harding RJ, Franzoni I, Mann MK, Szewczyk MM, Mirabi B, Ferreira de Freitas R, Owens DDG, Ackloo S, Scheremetjew A, Juarez-Ornelas KA, Sanichar R, Baker RJ, Dank C, Brown PJ, Barsyte-Lovejoy D, Santhakumar V, Schapira M, Lautens M, Arrowsmith CH
Publicado en: J Med Chem, 2023, ISSN 0022-2623
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.3c00314

Structure-Reactivity Studies of 2-Sulfonylpyrimidines Allow Selective Protein Arylation.

Autores: Pichon MM, Drelinkiewicz D, Lozano D, Moraru R, Hayward LJ, Jones M, McCoy MA, Allstrum-Graves S, Balourdas DI, Joerger AC, Whitby RJ, Goldup SM, Wells N, Langley GJ, Herniman JM, Baud MGJ.
Publicado en: Bioconjug Chem, 2023, ISSN 1043-1802
Editor: American Chemical Society
DOI: 10.1021/acs.bioconjchem.3c00322

Structure-Based Development of Isoform Selective Inhibitors ofCasein Kinase 1ε vs. Casein Kinase 1δ

Autores: Choi JY, Noguchi Y, Alburger JM, Bayle S, Chung E, Grant W, Chaikuad A, Knapp S, Duckett DR, Roush WR.
Publicado en: J Med Chem, 2023, ISSN 0022-2623
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01180

The identification of high-performing antibodies for transmembrane protein 106B (TMEM106B) for use in Western blot, immunoprecipitation, and immunofluorescence.

Autores: 3. Riham Ayoubi, Maryam Fotouhi, Kathleen Southern, Ritika Bhajiawala, Rebeka Fanti, Panagiotis Prinos, Peter S. McPherson, Carl Laflamme, NeuroSGC/YCharOS/EDDU collaborative group, ABIF Consortium.
Publicado en: F1000 Research, 2023, ISSN 2046-1402
Editor: F1000 Research Ltd.
DOI: 10.12688/f1000research.131333.1

Discovery and characterization of a specific inhibitor of serine-threonine kinase cyclin-dependent kinase-like 5 (CDKL5) demonstrates role in hippocampal CA1 physiology

Autores: Anna Castano, Margaux Silvestre, Carrow I Wells, Jennifer L Sanderson, Carla A Ferrer, Han Wee Ong, Yi Lang, William Richardson, Josie A Silvaroli, Frances M Bashore, Jeffery L Smith, Isabelle M Genereux, Kelvin Dempster, David H Drewry, Navlot S Pabla, Alex N Bullock, Tim A Benke, Sila K Ultanir, and Alison D Axtman
Publicado en: Elife, 2023, ISSN 2050-084X
Editor: eLife Sciences Publications
DOI: 10.7554/elife.88206

Rare genetic variability in human drug target genes modulates drug response and can guide precision medicine

Autores: Zhou, Y., Arribas, G. H., Turku, A., Jürgenson, T., Mkrtchian, S., Krebs, K., ... & Lauschke, V. M.
Publicado en: Science Advances, 2021, ISSN 2375-2548
Editor: American Association for the Advancement of Science
DOI: 10.1126/sciadv.abi6856

A Chemical Toolbox for Labeling and Degrading Engineered Cas Proteins

Autores: Gama-Brambila RA, Chen J, Dabiri Y, Tascher G, Němec V, Münch C, Song G, Knapp S, Cheng X.
Publicado en: JACS Au, 2021, ISSN 2691-3704
Editor: American Chemical Society
DOI: 10.1021/jacsau.1c00007

The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.

Autores: Kimani SW, Perveen S, Szewezyk M, Zeng H, Dong A, Li F, Ghiabi P, Li Y, Chau I, Arrowsmith CH, Barsyte-Lovejoy D, Santhakumar V, Vedadi M, Halabelian L.
Publicado en: Commun Biol, 2023, ISSN 2399-3642
Editor: Springer Nature
DOI: 10.1038/s42003-023-05655-8

Cdyl Deficiency Brakes Neuronal Excitability and Nociception through Promoting Kcnb1 Transcription in Peripheral Sensory Neurons.

Autores: Sun ZW, Waybright JM, Beldar S, Chen L, Foley CA, Norris-Drouin JL, Lyu TJ, Dong A, Min J, Wang YP, James LI, Wang Y
Publicado en: Adv Sci (Weinh), 2022, ISSN 2198-3844
Editor: John Wiley and Sons
DOI: 10.1002/advs.202104317

Wnt/β-catenin and NFκB signaling synergize to trigger growth factor-free regeneration of adult primary human hepatocytes

Autores: Nuria Oliva-Vilarnau, Christian M Beusch , Pierre Sabatier, Eirini Sakaraki, Amelie Tjaden, Lukas Graetz, Florian A Büttner, Debra Dorotea , My Nguyen , Filip Bergqvist, Yvonne Sundström, Susanne Müller, Roman A Zubarev, Gunnar Schulte, Claudia Tredu, Roberto Gramignoli , Uwe J F Tietge , Volker M Lauschke
Publicado en: Hepatology, 2023, ISSN 0270-9139
Editor: John Wiley & Sons Inc.
DOI: 10.1097/hep.0000000000000648

Amide-to-ester substitution as a strategy for optimizing PROTAC permeability and cellular activity

Autores: Victoria G. Klein; Adam G. Bond; Conner Craigon; R. Scott Lokey; Alessio Ciulli
Publicado en: Journal of Medicinal Chemistry, Edición 2, 2021, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.1c01496

DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.

Autores: Strubel A, Münick P, Hartmann O, Chaikuad A, Dreier B, Schaefer JV, Gebel J, Osterburg C, Tuppi M, Schäfer B, Buck V, Rosenfeldt M, Knapp S, Plückthun A, Diefenbacher ME, Dötsch V.
Publicado en: Cell Death Dis, 2023, ISSN 2041-4889
Editor: Nature Publishing Group
DOI: 10.1038/s41419-023-06213-0

Identification and evaluation of small-molecule inhibitors against the dNTPase SAMHD1 via a comprehensive screening funnel

Autores: Si Min Zhang, Cynthia BJ Paulin, Huazhang Shu, Miriam Yagüe-Capilla, Maurice Michel, Petra Marttila, Florian Ortis, Henri Colyn Bwanika, Christopher Dirks, Rajagopal Papagudi Venkatram, Elisée Wiita, Ann-Sofie Jemth, Ingrid Almlöf, Olga Loseva, Femke M Hormann, Tobias Koolmeister, Erika Linde, Sun Lee, Sabin Llona-Minguez, Martin Haraldsson, Hanna Axelsson, Kia Strömberg, Evert J Homan, Martin
Publicado en: iScience, 2024, ISSN 2589-0042
Editor: Elsevier
DOI: 10.1016/j.isci.2024.108907

A Concerted Action of UBA5 C-Terminal Unstructured Regions Is Important for Transfer of Activated UFM1 to UFC1

Autores: Nicole Wesch, Frank Löhr, Natalia Rogova, Volker Dötsch, Vladimir V. Rogov
Publicado en: International Journal of Molecular Sciences, Edición 22/14, 2021, Página(s) 7390, ISSN 1422-0067
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22147390

Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.

Autores: Martin P. Schwalm , Andreas Krämer, Anja Dölle , Janik Weckesser, Xufen Yu , Jian Jin , Krishna Saxena, Stefan Knapp
Publicado en: Cell Chemical Biology, 2023, ISSN 2451-9456
Editor: Elsevier Inc.
DOI: 10.1016/j.chembiol.2023.06.002

The MYC oncoprotein directly interacts with its chromatin cofactor PNUTS to recruit PP1 phosphatase.

Autores: Wei Y, Redel C, Ahlner A, Lemak A, Johansson-Ã…khe I, Houliston S, Kenney TMG, Tamachi A, Morad V, Duan S, Andrews DW, Wallner B, Sunnerhagen M, Arrowsmith CH, Penn LZ
Publicado en: Nucleic Acids Res, 2022, ISSN 0305-1048
Editor: Oxford University Press
DOI: 10.1093/nar/gkac138

Small Molecule Screen Identifies Non-catalytic USP3 Chemical Handle.

Autores: Mann MK, Wolf E, Silva M, Kwak HA, Wilson B, Bolotokova A, Wilson DJ, Harding RJ, Schapira M.
Publicado en: ACS Omega., 2024, ISSN 2470-1343
Editor: American. Chemical Society
DOI: 10.1021/acsomega.3c07070

The Structure-Based Design of SARS-CoV-2 nsp14 Methyltransferase Ligands Yields Nanomolar Inhibitors.

Autores: Otava T, Å Ã¡la M, Li F, FanfrlÃ-k J, Devkota K, Perveen S, Chau I, Pakarian P, Hobza P, Vedadi M, Boura E, Nencka R
Publicado en: ACS Infect Dis, 2021, ISSN 2373-8227
Editor: American Chemical Society
DOI: 10.1021/acsinfecdis.1c00131

Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments

Autores: Martinelli P., Schaaf O., Mantoulidis A., Martin L., Fuchs JE., Bader G., Gollner A., Wolkerstorfer B., Rogers C., Balıkçı E., Lipp J., Mischerikow N., Doebel S., Gerstberger T., Sommergruber W., Huber KVM., Böttcher J.
Publicado en: ChemMedChem, 2023, ISSN 1860-7179
Editor: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/cmdc.202200686

In vitro and ex vivo modeling of enteric bacterial infections

Autores: Taebnia, N., Römling, U., Lauschke, V.M
Publicado en: Gut Microbes, 2022, ISSN 1949-0976
Editor: Landes Bioscience
DOI: 10.1080/19490976.2022.2158034

Single tracer-based protocol for broad-spectrum kinase profiling in live cells with NanoBRET

Autores: Robers MB, Wilkinson JM, Vasta JD, Berger LM, Berger BT, Knapp S.
Publicado en: Star Protoc, 2021, ISSN 2666-1667
Editor: Cell Press Elsevier Inc.
DOI: 10.1016/j.xpro.2021.100822

Probing the CRL4DCAF12 interactions with MAGEA3 and CCT5 di-Glu C-terminal degrons

Autores: Germanna Righetto, Yanting Yin, David Duda, Victoria Vu, Magdalena Szewczyk, Hong Zeng, Yanjun Li, Peter Loppnau, Tony Mei, Yen-yen Li, Alma Seitova, Aaron Patrick, Jean-Francois Brazeau, Charu Chaudhry, Dalia Barsyte-Lovejoy, Vijayaratnam Santhakumar, Levon Halabelian.
Publicado en: PNAS Nexus, 2024, ISSN 2752-6542
Editor: 2752-6542
DOI: 10.1093/pnasnexus/pgae153

Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants

Autores: Xiaomin Ni, Allyn T. Londregan, Dafydd R. Owen, Stefan Knapp, Apirat Chaikuad
Publicado en: ACS Chemical Biology, Edición 16/4, 2021, Página(s) 571-578, ISSN 1554-8929
Editor: American Chemical Society
DOI: 10.1021/acschembio.0c00960

Exploiting vulnerabilities of SWI/SNF chromatin remodelling complexes for cancer therapy

Autores: Marek Wanior, Andreas Krämer, Stefan Knapp, Andreas C. Joerger
Publicado en: Oncogene, 2021, ISSN 0950-9232
Editor: Nature Publishing Group
DOI: 10.1038/s41388-021-01781-x

From cultivation to cancer: formation of -nitrosamines and other carcinogens in smokeless tobacco and their mutagenic implications.

Autores: Stanfill SB, Hecht SS, Joerger AC, González PJ, Maia LB, Rivas MG, Moura JJG, Gupta AK, Le Brun NE, Crack JC, Hainaut P, Sparacino-Watkins C, Tyx RE, Pillai SD, Zaatari GS, Henley SJ, Blount BC, Watson CH, Kaina B, Mehrotra R.
Publicado en: Crit Rev Toxicol, 2023, ISSN 1040-8444
Editor: Taylor & Francis
DOI: 10.1080/10408444.2023.2264327

Arginine ADP-Ribosylation: Chemical Synthesis of Post-Translationally Modified Ubiquitin Proteins

Autores: Voorneveld J, Kloet MS, Wijngaarden S, Kim RQ, Moutsiopoulou A, Verdegaal M, Misra M, Đikić I, van der Marel GA, Overkleeft HS, Filippov DV, van der Heden van Noort GJ
Publicado en: Journal of the AMerican Chemical Societyf, 2022, ISSN 0002-7863
Editor: American Chemical Society
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Sequence and structural variations determining the recruitment of WNK kinases to the KLHL3 E3 ligase.

Autores: Chen, Z., Zhang, J., Murillo-de-Ozores, A. R., Castaneda-Bueno, M., D'Amico, F., Heilig, R., Manning, C. E., Sorrell, F. J., D'Angiolella, V., Fischer, R., Mulder, M. P. C., Gamba, G., Alessi, D. R. and Bullock, A. N.
Publicado en: Biochem J., 2022, ISSN 0264-6021
Editor: Portland Press, Ltd.
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A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.

Autores: Dilworth D, Hanley RP, Ferreira de Freitas R, Allali-Hassani A, Zhou M, Mehta N, Marunde MR, Ackloo S, Carvalho Machado RA, Khalili Yazdi A, Owens DDG, Vu V, Nie DY, Alqazzaz M, Marcon E, Li F, Chau I, Bolotokova A, Qin S, Lei M, Liu Y, Szewczyk MM, Dong A, Kazemzadeh S, Abramyan T, Popova IK, Hall NW, Meiners MJ, Cheek MA, Gibson E, Kireev D, Greenblatt JF, Keogh MC, Min J, Brown PJ, Vedadi M, Ar
Publicado en: Nat Chem Biol, 2021, ISSN 1552-4450
Editor: Nature Publishing Group
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Synthesis and Biological Evaluation of 2-Substituted Quinazolin-4(3)-Ones with Antiproliferative Activities

Autores: Karelou M, Kampasis D, Kalampaliki AD, Persoons L, Krämer A, Schols D, Knapp S, De Jonghe S, Kostakis IK.
Publicado en: Molecules, 2023, ISSN 1420-3049
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
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5-Iodotubercidin sensitizes cells to RIPK1-dependent necroptosis by interfering with NFκB signaling

Autores: Chauhan C, Kraemer A, Knapp S, Windheim M, Kotlyarov A, Menon MB, Gaestel M.
Publicado en: Cell Death Discov, 2023, ISSN 2058-7716
Editor: Nature Publishing Group
DOI: 10.1038/s41420-023-01576-x

Cellular shape reinforces niche to stem cell signaling in the small intestine

Autores: Pentinmikko N, Lozano R, Scharaw S, Andersson S, Englund JI, Castillo-Azofeifa D, Gallagher A, Broberg M, Song KY, Sola Carvajal A,Speidel AT, Sundstrom M, Allbritton N, Stevens MM ,Klein OD , Teixeira A ,Katajisto P
Publicado en: Science Advances, 2022, ISSN 2375-2548
Editor: AAAS
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Current Advances in CETSA

Autores: Tolvanen, TA
Publicado en: Frontiers in Molecular Biosciences, 2022, ISSN 2296-889X
Editor: Frontiers Media S.A
DOI: 10.3389/fmolb.2022.866764

PRMT5 regulates ATF4 transcript splicing and oxidative stress response.

Autores: Szewczyk MM, Luciani GM, Vu V, Murison A, Dilworth D, Barghout SH, Lupien M, Arrowsmith CH, Minden MD, Barsyte-Lovejoy D
Publicado en: Redox Biol, 2022, ISSN 2213-2317
Editor: Elsevier BV
DOI: 10.1016/j.redox.2022.102282

Pharmacogenomics Beyond Single Common Genetic Variants: The Way Forward

Autores: Volker M. Lauschke, Yitian Zhou, and Magnus Ingelman-Sundberg
Publicado en: Annual Review of Pharmacology and Toxicology, 2023, ISSN 0362-1642
Editor: Annual Reviews, Inc.
DOI: 10.1146/annurev-pharmtox-051921-091209

The PB1 and the ZZ domain of the autophagy receptor p62/SQSTM1 regulate the interaction of p62/SQSTM1 with the autophagosome protein LC3B

Autores: Alcober-Boquet L, Zang T, Pietsch L, Suess E, Hartmann M, Proschak E, Gross LZF, Sacerdoti M, Zeuzem S, Rogov VV, Leroux AE, Piiper A, Biondi RM.
Publicado en: Protein Sci, 2024, ISSN 0961-8368
Editor: Cold Spring Harbor Laboratory Press
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Structural and functional characterization of ubiquitin variant inhibitors for the JAMM-family deubiquitinases STAMBP and STAMBPL1.

Autores: Guo Y, Liu Q, Mallette E, Caba C, Hou F, Fux J, LaPlante G, Dong A, Zhang Q, Zheng H, Tong Y, Zhang W
Publicado en: J Biol Chem, 2021, ISSN 0021-9258
Editor: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2021.101107

Chemical Starting Matter for HNF4α Ligand Discovery and Chemogenomics

Autores: Isabelle Meijer, Sabine Willems, Xiaomin Ni, Jan Heering, Apirat Chaikuad, Daniel Merk
Publicado en: International Journal of Molecular Sciences, Edición 21/21, 2020, Página(s) 7895, ISSN 1422-0067
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
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Human MettL3-MettL14 RNA adenine methyltransferase complex is active on double-stranded DNA containing lesions.

Autores: Yu D, Horton JR, Yang J, Hajian T, Vedadi M, Sagum CA, Bedford MT, Blumenthal RM, Zhang X, Cheng X
Publicado en: Nucleic Acids Res, 2021, ISSN 0305-1048
Editor: Oxford University Press
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Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective

Autores: Han Wee Ong, Yi Liang,William Richardson, Emily R. Lowry, Carrow I. Wells, Xiangrong Chen, Margaux Silvestre, Kelvin Dempster, Josie A. Silvaroli, Jeffery L. Smith, Hynek Wichterle, Navjot S. Pabla, Sila K. Ultanir, Alex N. Bullock, David H. Drewry, and Alison D. Axtman
Publicado en: ACS Chem Neurosci, 2023, ISSN 1948-7193
Editor: American Chemical Society
DOI: 10.1021/acschemneuro.3c00135

Stopping pandemics before they start: Lessons learned from SARS-CoV-2

Autores: Edwards AM, Baric RS, Saphire EO, Ulmer JB
Publicado en: Science, 2022, ISSN 0036-8075
Editor: American Association for the Advancement of Science
DOI: 10.1126/science.abn1900

A pro-Fluorescent Ubiquitin-based Probe to Monitor Cysteine-based E3 Ligase Activity

Autores: David Pérez Berrocal, Thimmalapura Vishwanatha, Daniel Horn Ghetko, Josephine Bosch, laura hehl, Sebastian Kostrhon, Mohit Misra, Ivan Dikic, Paul geurink, hans van dam, Brenda Schulman, Monique Priscilla Catharina Mulder
Publicado en: Angewandte, 2023, ISSN 1433-7851
Editor: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202303319

Computational tools to assess the functional consequences of rare and noncoding pharmacogenetic variability

Autores: Yitian Zhou, Volker M. Lauschke
Publicado en: Clinical Pharmacology & Therapeutics, 2021, ISSN 0009-9236
Editor: Nature Publishing Group
DOI: 10.1002/cpt.2289

Hepatic Inhibition of ANGPTL3 Mimics the Molecular Hallmarks of Hypothyroidism

Autores: Taebnia, N. & Lauschke, V. M.
Publicado en: Arter., Thromb., Vasc. Biol., 2024, ISSN 1079-5642
Editor: Lippincott Williams & Wilkins Ltd.
DOI: 10.1161/atvbaha.124.320817

Binding Adaptation of GS-441524Diversifies Macro Domains and Down-regulates SARS-CoV-2 de-MARylationCapacity

Autores: Tsika AC, Gallo A, Fourkiotis NK, Argyriou AI, Sreeramulu S, Löhr F, Rogov VV, Richter C, Linhard V, Gande SL, Altincekic N, Krishnathas R, Elamri I, Schwalbe H, Wollenhaupt J, Weiss MS, Spyroulias GA.
Publicado en: JMB, 2022, ISSN 0022-2836
Editor: Academic Press
DOI: 10.1016/j.jmb.2022.167720

Pharmacogene Sequencing of a Gabonese Population with Severe Plasmodium falciparum Malaria Reveals Multiple Novel Variants with Putative Relevance for Antimalarial Treatment

Autores: Leyre Pernaute-Lau, Ayola Akim Adegnika, Yitian Zhou, Jeannot F. Zinsou, Jose Pedro Gil, Sanjeev Krishna, Peter G. Kremsner, Volker M. Lauschke, Thirumalaisamy P. Velavan
Publicado en: Antimicrobial Agents and Chemotherapy, Edición 65/7, 2021, ISSN 0066-4804
Editor: American Society for Microbiology
DOI: 10.1128/aac.00275-21

Discovery of Nedd4 auto-ubiquitination inhibitors

Autores: 15. Yong D, Green SR, Ghiabi P, Santhakumar V, Vedadi M.
Publicado en: Sci Rep, 2023, ISSN 2045-2322
Editor: Nature Publishing Group
DOI: 10.1038/s41598-023-42997-z

Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPARγ Modulation

Autores: Arifi S, Marschner JA, Pollinger J, Isigkeit L, Heitel P, Kaiser A, Obeser L, Höfner G, Proschak E, Knapp S, Chaikuad A, Heering J, Merk D.
Publicado en: J Am Chem Soc, 2023, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.3c03417

Open resources for chemical probes and their implications for future drug discovery

Autores: Balıkçı E., Marques A-SMC., Hansen JS., Huber KVM.
Publicado en: Expert Opinion on Drug Discovery, 2023, ISSN 1746-0441
Editor: Informa Healthcare
DOI: 10.1080/17460441.2023.2199979

GLP-1R signaling neighborhoods associate with the susceptibility to adverse drug reactions of incretin mimetics.

Autores: Shane C. Wright, Aikaterini Motso, Stefania Koutsilieri, Christian M. Beusch, Pierre Sabatier, Alessandro Berghella, Élodie Blondel-Tepaz, Kimberley Mangenot, Ioannis Pittarokoilis, Despoina-Christina Sismanoglou, Christian Le Gouill, Jesper V. Olsen, Roman A. Zubarev, Nevin A. Lambert, Alexander S. Hauser, Michel Bouvier & Volker M. Lauschke
Publicado en: Nat. Commun., 2023, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-023-41893-4

Toward effective Atg8-based ATTECs: Approaches and perspectives

Autores: Schwalm MP, Knapp S, Rogov VV.
Publicado en: J Cell Biochem, 2023, ISSN 0730-2312
Editor: John Wiley & Sons Inc.
DOI: 10.1002/jcb.30380

Colorectal cancer organoid-stroma biobank allows subtype-specific assessment of individualized therapy responses.

Autores: Farin HF, Mosa MH, Ndreshkjana B, Grebbin BM, Ritter B, Menche C, Kennel KB, Ziegler PK, Szabo L, Bollrath J, Rieder D, Michels BE, Kress A, Bozlar M, Darvishi T, Stier S, Kur IM, Bankov K, Kesselring R, Fichtner-Feigl S, Brune B, Goetze TO, Al-Batran SE, Brandts CH, Bechstein WO, Wild PJ, Weigert A, Muller S, Knapp S, Trajanoski Z, Greten FR.
Publicado en: Cancer Discov, 2023, ISSN 2159-8274
Editor: American Association for Cancer Research Inc.
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Automated Determination of Nuclear Magnetic Resonance Chemical Shift Perturbations in Ligand Screening Experiments: The PICASSO Web Server

Autores: Laveglia, V., Giachetti, A., Cerofolini, L., Haubrich, K., Fragai, M., Ciulli, A., Rosato, A.
Publicado en: Journal of Chemical Information and Modeling, 2021, ISSN 1549-9596
Editor: American Chemical Society
DOI: 10.1021/acs.jcim.1c00871

Discovery of Conformationally Constrained ALK2 Inhibitors

Autores: Héctor González-Álvarez; Deeba Ensan; Tao Xin; Jong Fu Wong; Carlos A. Zepeda-Velázquez; Julien Cros; Melissa N. Sweeney; Laurent Hoffer; Taira Kiyota; Brian J. Wilson; Ahmed Aman; Owen Roberts; Methvin B. Isaac; Alex N. Bullock; David Smil; Rima Al-awar
Publicado en: Crossref, Edición 45, 2024, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.3c02308

Image-Based Annotation of Chemogenomic Libraries for Phenotypic Screening

Autores: Tjaden A, Chaikuad A, Kowarz E, Marschalek R, Knapp S, Schröder M, Müller S.
Publicado en: Molecules, 2022, ISSN 1420-3049
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27041439

LRRK2 dynamics analysis identifies allosteric control of the crosstalk between its catalytic domains

Autores: 9. Weng JH, Aoto PC, Lorenz R, Wu J, Schmidt SH, Manschwetus JT, Kaila-Sharma P, Silletti S, Mathea S, Chatterjee D, Knapp S, Herberg FW, Taylor SS.
Publicado en: PLoS Biol, 2022, ISSN 1544-9173
Editor: Public Library of Science
DOI: 10.1371/journal.pbio.3001427

Bioengineered Pancreas–Liver Crosstalk in a Microfluidic Coculture Chip Identifies Human Metabolic Response Signatures in Prediabetic Hyperglycemia

Autores: Zandi Shafagh, R., Youhanna, S., Keulen, J., Shen, J.X., Taebnia, N., Preiss, L.C., Klein, K., Büttner, F., Bergqvist, M., van der Wijngaart, W., Lauschke, V.M
Publicado en: Advanced Science, 2022, ISSN 2198-3844
Editor: Wiley-VCH
DOI: 10.1002/advs.202203368

The Small-Molecule Inhibitor MRIA9 Reveals Novel Insights into the Cell Cycle Roles of SIK2 in Ovarian Cancer Cells

Autores: Monika Raab, Marcel Rak, Roberta Tesch, Khayal Gasimli, Sven Becker, Stefan Knapp, Klaus Strebhardt, Mourad Sanhaji
Publicado en: Cancers, Edición 13/15, 2021, Página(s) 3658, ISSN 2072-6694
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/cancers13153658

Nudix hydrolase 18 catalyzes the hydrolysis of active triphosphate metabolites of the antivirals remdesivir, ribavirin, and molnupiravir

Autores: Ann-Sofie Jemth1, Emma Rose Scaletti, Evert Homan, Pål Stenmark, Thomas Helleday, and Maurice Michel
Publicado en: JBC, 2022, ISSN 0021-9258
Editor: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102169

PRMT7 ablation stimulates anti-tumor immunity and sensitizes melanoma to immune checkpoint blockade.

Autores: Srour N, Villarreal OD, Hardikar S, Yu Z, Preston S, Miller WH, Szewczyk MM, Barsyte-Lovejoy D, Xu H, Chen T, Del RincÃ³n SV, Richard S
Publicado en: Cell Rep, 2022, ISSN 2211-1247
Editor: Cell Press
DOI: 10.1016/j.celrep.2022.110582

The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods

Autores: Barbara Zdrazil; Eloy Felix; Fiona Hunter; Emma J Manners; James Blackshaw; Sybilla Corbett; Marleen de Veij; Harris Ioannidis; David Mendez Lopez; Juan F Mosquera; Maria Paula Magarinos; Nicolas Bosc; Ricardo Arcila; Tevfik Kizilören; Anna Gaulton; A Patrícia Bento; Melissa F Adasme; Peter Monecke; Gregory A Landrum; Andrew R Leach
Publicado en: Nucleic Acids Research, 52 (D1), Edición 36, 2023, ISSN 0305-1048
Editor: Oxford University Press
DOI: 10.1093/nar/gkad1004

Phosphorylation-linked complex profiling identifies assemblies required for Hippo signal integration

Autores: Federico Uliana, Rodolfo Ciuffa, Ranjan Mishra, Andrea Fossati, Fabian Frommelt, Sabrina Keller, Martin Mehnert, Eivind Salmorin Birkeland, Frank van Drogen, Nevena Srejic, Matthias Peter, Nicolas Tapon, Ruedi Aebersold, Matthias Gstaiger
Publicado en: Molecular Systems Biology, Edición EMBO press, 2023, ISSN 1744-4292
Editor: Nature Publishing Group
DOI: 10.15252/msb.202211024

Discovery of a Novel Class of Covalent Dual Inhibitors Targeting the Protein Kinases BMX and BTK

Autores: Michael Forster, Xiaojun Julia Liang, Martin Schröder, Stefan Gerstenecker, Apirat Chaikuad, Stefan Knapp, Stefan Laufer, Matthias Gehringer
Publicado en: International Journal of Molecular Sciences, Edición 21/23, 2020, Página(s) 9269, ISSN 1422-0067
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms21239269

Non-alcoholic fatty liver disease - opportunities for personalized treatment and drug development

Autores: Kemas, A.M., Youhanna, S. Lauschke, V.M.
Publicado en: Expert Review of Precision Medicine and Drug Development, 2022, ISSN 2380-8993
Editor: Taylor & Francis
DOI: 10.1080/23808993.2022.2053285

Kinetic characterization of human mRNA guanine-N7 methyltransferase

Autores: Sumera Perveen, Aliakbar Khalili Yazdi, Taraneh Hajian, Fengling Li, and Masoud Vedadi
Publicado en: Sci Rep, 2024, ISSN 2045-2322
Editor: Nature Publishing Group
DOI: 10.1038/s41598-024-55184-5

Reprogramming Transcription Factors Oct4 and Sox2 Induce a BRD-Dependent Immunosuppressive Transcriptome in GBM-Propagating Cells.

Autores: Ma T, Hu C, Lal B, Zhou W, Ma Y, Ying M, Prinos P, QuiÃ±ones-Hinojosa A, Lim M, Laterra J, Li Y
Publicado en: Cancer Res, 2021, ISSN 0008-5472
Editor: American Association for Cancer Research
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A Toolbox for the Generation of Chemical Probes for Baculovirus IAP Repeat Containing Proteins

Autores: Schwalm MP, Berger LM, Meuter MN, Vasta JD, Corona CR, Röhm S, Berger BT, Farges F, Beinert SM, Preuss F, Morasch V, Rogov VV, Mathea S, Saxena K, Robers MB, Müller S, Knapp S.
Publicado en: Front Cell Dev Biol., 2022, ISSN 2296-634X
Editor: Frontiers Media
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PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands

Autores: Simon I.A., Homan E.J., Wijtmans M., Sundström M., Leurs R., De Esch I.J.P., Zarzycka B.A.
Publicado en: Journal of Chemical Information and Modeling, 2023, ISSN 1549-9596
Editor: American Chemical Society
DOI: 10.1021/acs.jcim.3c01050

RAS and PP2A activities converge on epigenetic gene regulation.

Autores: Aakula A, Sharma M, Tabaro F, NÃ¤tkin R, Kamila J, Honkanen H, Schapira M, Arrowsmith C, Nykter M, Westermarck J
Publicado en: Life Sci Alliance, 2023, ISSN 2575-1077
Editor: Life Science Alliance LLC
DOI: 10.26508/lsa.202301928

Trends in kinase drug discovery: targets, indications and inhibitor design.

Autores: 39. Attwood MM, Fabbro D, Sokolov AV, Knapp S, Schiöth HB
Publicado en: Nat Rev Drug Discov, 2021, ISSN 1474-1776
Editor: Nature Publishing Group
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3D Adipose Tissue Culture Links the Organotypic Microenvironment to Improved Adipogenesis

Autores: Joanne X. Shen, Morgane Couchet, Jérémy Dufau, Thais de Castro Barbosa, Maximilian H. Ulbrich, Martin Helmstädter, Aurino M. Kemas, Reza Zandi Shafagh, Marie‐Adeline Marques, Jacob B. Hansen, Niklas Mejhert, Dominique Langin, Mikael Rydén, Volker M. Lauschke
Publicado en: Advanced Science, 2021, Página(s) 2100106, ISSN 2198-3844
Editor: Advanced Science
DOI: 10.1002/advs.202100106

The Chemical Probes Portal: an expert review-based public resource to empower chemical probe assessment, selection and use

Autores: Antolin AA, Sanfelice D, Crisp A, Villasclaras Fernandez E, Mica IL, Chen Y, Collins I, Edwards A, Müller S, Al-Lazikani B, Workman P.
Publicado en: Nucleic Acids Research, 2022, ISSN 0305-1048
Editor: Oxford University Press
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PharmVar GeneFocus: CYP2B6

Autores: Zeruesenay Desta, Ahmed El‐Boraie, Li Gong, Andrew A Somogyi, Volker M. Lauschke, Collet Dandara, Kathrin Klein, Neil A. Miller, Teri E. Klein, Rachel F. Tyndale, Michelle Whirl‐Carrillo, Andrea Gaedigk
Publicado en: Clinical Pharmacology & Therapeutics, 2021, ISSN 0009-9236
Editor: Nature Publishing Group
DOI: 10.1002/cpt.2166

Discovery of XL01126: A Potent, Fast, Cooperative, Selective, Oral bioavailable and Blood Brain Barrier Penetrant PROTAC Degrader of Leucine Rich Repeat Kinase 2 (LRRK2)

Autores: Xingui Liu; Alexia Kalogeropulou; Sofia Domingos; Nikolai Makukhin; Raja Nirujogi; Francois Singh; Natalia Shpiro; Anton Saalfrank; Esther Sammler; Ian Ganley; Rui Moreira; Dario Alessi; Alessio Ciulli
Publicado en: Crossref, Edición 4, 2022, ISSN 0002-7863
Editor: American Chemical Society
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3D microperfusion of mesoscale human microphysiological liver models improves functionality and recapitulates hepatic zonation

Autores: Milan Finn Wesseler, Nayere Taebnia, Sean Harrison, Sonia Youhanna, Lena C Preiss, Aurino M Kemas, Akos Vegvari, Jaroslav Mokry, Gareth J Sullivan, Volker M Lauschke, Niels B Larsen
Publicado en: Acta Biomaterialia, 2023, ISSN 1742-7061
Editor: Elsevier BV
DOI: 10.1016/j.actbio.2023.09.022

Organotypic human ex vivo models for coronavirus disease 2019 research and drug development

Autores: Sonia Youhanna, Shane C. Wright, Volker M. Lauschke
Publicado en: Current Opinion in Pharmacology, Edición 59, 2021, Página(s) 11-18, ISSN 1471-4892
Editor: Elsevier BV
DOI: 10.1016/j.coph.2021.04.006

Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.

Autores: Kim TE, Tsuboyama K, Houliston S, Martell CM, Phoumyvong CM, Lemak A, Haddox HK, Arrowsmith CH, Rocklin GJ
Publicado en: Proc Natl Acad Sci U S A, 2022, ISSN 0027-8424
Editor: National Academy of Sciences
DOI: 10.1073/pnas.2122676119

Illumination of understudied ciliary kinases

Autores: Raymond G Flax, Peter Rosston, Cecilia Rocha, Brian Anderson, Jacob L Capener, Thomas M Durcan, David H Drewry, Panagiotis Prinos and Alison D Axtman.
Publicado en: Frontiers in Molecular Biosciences, 2024, ISSN 2296-889X
Editor: Frontiers Media
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Antecedent chromatin organization determines cGAS recruitment to ruptured micronuclei.

Autores: MacDonald KM, Nicholson-Puthenveedu S, Tageldein MM, Khasnis S, Arrowsmith CH, Harding SM
Publicado en: Nat Commun, 2023, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-023-36195-8

Design, Synthesis, and Evaluation of WD-Repeat-Containing Protein 5 (WDR5) Degraders

Autores: Anja Dölle, Bikash Adhikari, Andreas Krämer, Janik Weckesser, Nicola Berner, Lena-Marie Berger, Mathias Diebold, Magdalena M. Szewczyk, Dalia Barsyte-Lovejoy, Cheryl H. Arrowsmith, Jakob Gebel, Frank Löhr, Volker Dötsch, Martin Eilers, Stephanie Heinzlmeir, Bernhard Kuster, Christoph Sotriffer, Elmar Wolf, Stefan Knapp
Publicado en: Journal of Medicinal Chemistry, 2021, ISSN 0022-2623
Editor: American Chemical Society
DOI: 10.1021/acs.jmedchem.1c00146

The genetic landscape of major drug metabolizing cytochrome P450 genes—an updated analysis of population-scale sequencing data

Autores: Zhou, Y., Lauschke, V.M.
Publicado en: The Pharmacogenomics Journal, 2022, ISSN 1470-269X
Editor: Nature Publishing Group
DOI: 10.1038/s41397-022-00288-2

Practice guidance documents for the diagnosis and management of non-alcoholic fatty liver disease—recent updates and open questions

Autores: Volker M. Lauschke
Publicado en: Hepatobiliary Surg Nutr, 2023, ISSN 2304-3881
Editor: AME Publishing Company
DOI: 10.21037/hbsn-23-376

3D human liver spheroids for translational pharmacology and toxicology

Autores: Magnus Ingelman‐Sundberg, Volker M. Lauschke
Publicado en: Basic & Clinical Pharmacology & Toxicology, 2021, ISSN 1742-7835
Editor: Nordic Pharmacological Society
DOI: 10.1111/bcpt.13587

Trivalent PROTACs enhance protein degradation via combined avidity and cooperativity

Autores: Imaide, S., Riching, K.M., Makukhin, N., Vetma, V., Whitworth, C., Hughes, S.J., Trainor, N., Mahan, S.D., Murphy, N., Cowan, A.D., Chan, K.-H., Craigon, C., Testa, A., Maniaci, C., Urh, M., Daniels, D.L.; Ciulli, A.
Publicado en: Nature Chemical Biology, 2021, ISSN 1552-4450
Editor: Nature Publishing Group
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Population pharmacogenomics: an update on ethnogeographic differences and opportunities for precision public health

Autores: Zhou, Y. & Lauschke, V. M.
Publicado en: Human Genetics, 2021, ISSN 0340-6717
Editor: Springer Verlag
DOI: 10.1007/s00439-021-02385-x

Aurora Kinase A Is Involved in Controlling the Localization of Aquaporin-2 in Renal Principal Cells

Autores: Baltzer S, Bulatov T, Schmied C, Krämer A, Berger BT, Oder A, Walker-Gray R, Kuschke C, Zühlke K, Eichhorst J, Lehmann M, Knapp S, Weston J, von Kries JP, Süssmuth RD, Klussmann E.
Publicado en: Int J Mol Sci, 2022, ISSN 1422-0067
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms23020763

Nucelotide Binding, Evolutionary Insights and Interaction Partners of the Pseudokinase Unc-51-like Kinase 4

Autores: Preuss, F.; Knapp,S.; Chatterjee,D.; Mathea,S.; Shrestha,S.; St-Germain,J.; Saha, S.; Kannan, N.; Raught,B.; Rottapel, R.
Publicado en: Structure, 2020, ISSN 0969-2126
Editor: Cell Press
DOI: 10.1016/j.str.2020.07.016

ALK2 Receptor Kinase Association with FKBP12.6 Is Structurally Conserved with the ALK2-FKBP12 Complex

Autores: Eleanor Williams, Elise Riesebos, Georgina Kerr, Alex N. Bullock
Publicado en: Biomedicines, Edición 9/2, 2021, Página(s) 129, ISSN 2227-9059
Editor: MDPI
DOI: 10.3390/biomedicines9020129

Calcium measurements in enzymatically dissociated or mechanically microdissected mouse primary skeletal muscle fibers

Autores: Youhanna S, Bruton J, Jardemark K, Westerblad H, Lauschke VM
Publicado en: STAR protocols, 2023, ISSN 2666-1667
Editor: Cell Press
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Targeting TRIM Proteins: A Quest towards Drugging an Emerging Protein Class

Autores: Francesca D'Amico, Rishov Mukhopadhyay, Huib Ovaa, Monique P. C. Mulder
Publicado en: ChemBioChem, 2021, ISSN 1439-4227
Editor: John Wiley & Sons Ltd.
DOI: 10.1002/cbic.202000787

Phosphorylation of the DNA repair scaffold SLX4drives folding of the SAP domain and activation of theMUS81-EME1 endonucleas

Autores: Payliss BJ, Tse YWE, Reichheld SE, Lemak A, Yun HY, Houliston S, Patel A, Arrowsmith CH, Sharpe S, Wyatt HDM
Publicado en: Cell Reports, 2022, ISSN 2211-1247
Editor: Cell Press
DOI: 10.1016/j.celrep.2022.111537

JAK inhibition reduces SARS-CoV-2 liver infectivity and modulates inflammatory responses to reduce morbidity and mortality

Autores: Justin Stebbing, Ginés Sánchez Nievas, Marco Falcone, Sonia Youhanna, Peter Richardson, Silvia Ottaviani, Joanne X. Shen, Christian Sommerauer, Giusy Tiseo, Lorenzo Ghiadoni, Agostino Virdis, Fabio Monzani, Luis Romero Rizos, Francesco Forfori, Almudena Avendaño Céspedes, Salvatore De Marco, Laura Carrozzi, Fabio Lena, Pedro Manuel Sánchez-Jurado, Leonardo Gianluca Lacerenza, Nencioni Cesira,
Publicado en: Science Advances, Edición 7/1, 2021, Página(s) eabe4724, ISSN 2375-2548
Editor: Science
DOI: 10.1126/sciadv.abe4724

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding

Autores: Ackloo S, Al-awar R, Amaro RE, Arrowsmith CH, Azevedo H, Batey RA, et al.
Publicado en: Nat Rev Chem, 2022, ISSN 1755-4330
Editor: Nature Publishing Group
DOI: 10.1038/s41570-022-00363-z

Crimean-Congo haemorrhagic fever virus uses LDLR to bind and enter host cells.

Autores: Monteil VM, Wright SC, Dyczynski M, Kellner MJ, Appelberg S, Platzer SW, Ibrahim A, Kwon H, Pittarokoilis I, Mirandola M, Michlits G, Devignot S, Elder E, Abdurahman S, Bereczky S, Bagci B, Youhanna S, Aastrup T, Lauschke VM, Salata C, Elaldi N, Weber F, Monserrat N, Hawman DW, Feldmann H, Horn M, Penninger JM, Mirazimi A.
Publicado en: Nat Microbiol., 2024, ISSN 2058-5276
Editor: Nature
DOI: 10.1038/s41564-024-01672-3

Structural basis of the TAM domain of BAZ2A in binding toDNA or RNA independent of methylation status

Autores: Chen S, Zhou M, Dong A, Loppnau P, Wang M, Min J, Liu K
Publicado en: J Biol Chem, 2021, ISSN 0021-9258
Editor: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2021.101351

Cellular Validation of a Chemically Improved Inhibitor Identifies Monoubiquitination on OTUB2

Autores: Jin Gan, Jelle de Vries, Jimmy J. L. L. Akkermans, Yassene Mohammed, Rayman T. N. Tjokrodirijo, Arnoud H. de Ru, Robbert Q. Kim, David A. Vargas, Vito Pol, Rudi Fasan, Peter A. van Veelen, Jacques Neefjes, Hans van Dam, Huib Ovaa, Aysegul Sapmaz,* and Paul P. Geurink*
Publicado en: ACS Chem. Biol., 2023, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/acschembio.3c00227

JAK Inhibitors — More Than Just Glucocorticoids

Autores: Justin Stebbing, Volker M. Lauschke
Publicado en: New England Journal of Medicine, Edición 385/5, 2021, Página(s) 463-465, ISSN 0028-4793
Editor: Massachusetts Medical Society
DOI: 10.1056/nejme2108667

DNA double-strand break-derived RNA drives TIRR/53BP1 complex dissociation

Autores: Ketley RF., Battistini F., Alagia A., Mondielli C., Iehl F., Balikçi E., Huber KVM., Orozco M., Gullerova M.
Publicado en: Cell Reports, 2022, ISSN 2211-1247
Editor: Cell Press
DOI: 10.1016/j.celrep.2022.111526

Development of potent dual BET/HDAC inhibitors<i>via</i>pharmacophore merging and structure-guided optimization

Autores: Nicolas Bauer; Dimitrios-Ilias Balourdas; Joel R. Schneider; Xin Zhang; Lena M. Berger; Benedict-Tilman Berger; Nick A. Klopp; Jens T. Siveke; Stefan Knapp; Andreas C. Joerger
Publicado en: Crossref, Edición 5, 2023, ISSN 2692-8205
Editor: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.07.18.547334

Recruitment of FBXO22 for Targeted Degradation of NSD2

Autores: avid Y. Nie, John R. Tabor, Jianping Li, Maria Kutera, Jonathan St-Germain, Ronan P. Hanley, Esther Wolf, Ethan Paulakonis, Tristan M.G. Kenney, Shili Duan, Suman Shrestha, Dominic D.G. Owens, Ailing Pon, Magdalena Szewczyk, Anthony Joseph Lamberto, Michael Menes, Fengling Li, Dalia Barsyte-Lovejoy, Nicholas G. Brown, Anthony M. Barsotti, Andrew W. Stamford, Jon L. Collins, Derek J. Wilson, Brian
Publicado en: Biorxiv, 2024, ISSN 2692-8205
Editor: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.11.01.564830

Probing the mechanism of Cbl-b inhibition by a small molecule inhibitor

Autores: Serah Kimani, Sumera Perveen, Magdalena Szewezyk, Hong Zeng, Aiping Dong, Fengling Li, Pegah Ghiabi, Yanjun Li, Irene Chau, Cheryl Arrowsmith, Dalia Barsyte-Lovejoy, Vijayaratnam Santhakumar*, Masoud Vedadi, Levon Halabelian*
Publicado en: Biorxiv, 2023, ISSN 2692-8205
Editor: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.05.05.539612

Rewiring of catecholamine-induced calcium signalling is an early event in non-alcoholic fatty liver disease

Autores: Shane C. Wright, Volker M. Lauschke
Publicado en: The Journal of Physiology, 2023
Editor: Wiley-Blackwell
DOI: 10.1113/jp284526

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